27356 <common-name>2-Hexen-4-olide</common-name> <description nil="true"/> <cas>2407-43-4</cas> <pubchem-id>16997</pubchem-id> <chemical-formula>C6H8O2</chemical-formula> <weight>112.13</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-25T22:52:56Z</created-at> <updated-at type="dateTime">2026-08-23T15:25:10Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC1OC(=O)C=C1</moldb-smiles> <moldb-formula>C6H8O2</moldb-formula> <moldb-inchi>InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3</moldb-inchi> <moldb-inchikey>GOUILHYTHSOMQJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">112.1265</moldb-average-mass> <moldb-mono-mass type="decimal">112.0524295</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM026251</chemdb-id> <dsstox-id>DTXSID60862924</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00048001</susdat-id> <iupac>2-ethyl-2H-furan-5-one</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>30.190199999999997</moldb-refractivity> <moldb-polarizability>11.43021042841298</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>8.208791515745938</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.819482621115993</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.33</moldb-alogps-logp> <moldb-alogps-logs>-0.66</moldb-alogps-logs> <moldb-alogps-solubility>2.48e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Dihydrofurans</klass> <subklass>Furanones</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0049446</sync-id> <structure-inchikey>GOUILHYTHSOMQJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000080000000000000000000000010000000002000020000000000000000000000000000000000000000000000000000000001000000000000000000000000020800002000000000000000002000000000000000000000100000000000000000000000000000000000000000000100000000040000010000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000020000000000000000000000000000000000002000000000000000000000000000000000000000010000800000000004000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������(�������h��������h������������������ ��(��� ��(����B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:00Z</structure-indexed-at> </compound>